(2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-15(20(26)22-17-4-2-3-16(13-17)14-21)23-9-11-24(12-10-23)18-5-7-19(8-6-18)25(27)28/h2-8,13,15H,9-12H2,1H3,(H,22,26)/p+1/t15-/m0/s1